(E)-4-[(3-chloranyl-2-cyano-phenyl)methoxy]-4-oxidanyl-2-oxidanylidene-3-phenyl-but-3-enoic acid

Systemtic Name: (E)-4-[(3-chloranyl-2-cyano-phenyl)methoxy]-4-oxidanyl-2-oxidanylidene-3-phenyl-but-3-enoic acid Openeye Name: (E)-4-[(3-chloro-2-cyano-phenyl)methoxy]-4-hydroxy-2-oxo-3-phenyl-but-3-enoic acid CAS Name: (E)-4-[(3-chloro-2-cyanophenyl)methoxy]-4-hydroxy-2-oxo-3-phenyl-3-butenoic acid IUPAC Name: (E)-4-[(3-chloro-2-cyanophenyl)methoxy]-4-hydroxy-2-oxo-3-phenylbut-3-enoic acid Traditional Name: (E)-4-(3-chloro-2-cyano-benzyl)oxy-4-hydroxy-2-keto-3-phenyl-but-3-enoic acid Formula: C18H12ClNO5 MolecularWeight: 357.74458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C(O)OCC2=C(C(=CC=C2)Cl)C#N)C(=O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)/C(=C(/O)\OCC2=C(C(=CC=C2)Cl)C#N)/C(=O)C(=O)O

InChI

InChI=1S/C18H12ClNO5/c19-14-8-4-7-12(13(14)9-20)10-25-18(24)15(16(21)17(22)23)11-5-2-1-3-6-11/h1-8,24H,10H2,(H,22,23)/b18-15+